SCHEMBL1748609

SCHEMBL1748609

COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(CCN3CCOCC3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.47
CCNT1 O60563 8/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
IGF1R P08069 1/20 0.46
MKNK2 Q9HBH9 1/20 0.44
KDM4E B2RXH2 1/20 0.42
RCE1 Q9Y256 1/20 0.42
MAPK8 P45983 4/20 0.41
CAMKK2 Q96RR4 4/20 0.41
CHUK O15111 3/20 0.41
INSR P06213 3/20 0.41
KDR P35968 2/20 0.41
TBK1 Q9UHD2 1/20 0.41
GSK3B P49841 1/20 0.41
EPHA2 P29317 1/20 0.40
EPHB4 P54760 1/20 0.40
EGFR P00533 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1748870 0.92 IGF1R (0.46) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL2987587 0.88 CDK9 (0.45) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL1748945 0.86 IGF1R (0.41) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL1779928 0.85 IGF1R (0.66) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL1749184 0.84 CDK9 (0.43) CDK9CCNT1CDK1CDK2CASP3
Pyridine SCHEMBL5794486 0.82 IGF1R (0.40) CDK9CCNT1CASP3CASP7IGF1R
SCHEMBL5797776 0.81 KDM4E (0.44) CDK9CCNT1MKNK2KDM4ERCE1
SCHEMBL1748886 0.81 IGF1R (0.67) CDK9CCNT1CDK1IGF1RMAPK8
SCHEMBL2985824 0.80 IGF1R (0.38) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL1748700 0.79 IGF1R (0.53) IGF1RKDRGSK3BEPHA2EPHB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US claimed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US claimed
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 CDK9 178/4885CCNT1 534/4885CDK1 37/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 CDK9 178/4885CCNT1 534/4885CDK1 37/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.